phosphono dihydrogen phosphate;hydrate

H6O8P2 — CID 71418121

IUPACphosphono dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/H4O7P2.H2O/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);1H2
InChIKeyVAYWSYJJESFULG-UHFFFAOYSA-N
MW195.99 g/mol
LogP-1.64
Rot. Bonds2

About phosphono dihydrogen phosphate;hydrate

phosphono dihydrogen phosphate;hydrate (PubChem CID 71418121) has the molecular formula H6O8P2 and a molecular weight of 195.99 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;hydrate.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;hydrate
PubChem CID71418121
Molecular FormulaH6O8P2
Molecular Weight195.99 g/mol
Exact Mass195.95
IUPAC Namephosphono dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/H4O7P2.H2O/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);1H2
InChIKeyVAYWSYJJESFULG-UHFFFAOYSA-N
XLogP-1.64
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphono dihydrogen phosphate;hydrate?
The IUPAC name of phosphono dihydrogen phosphate;hydrate (CID 71418121) is phosphono dihydrogen phosphate;hydrate.
What is the SMILES notation for phosphono dihydrogen phosphate;hydrate?
The canonical SMILES for phosphono dihydrogen phosphate;hydrate is O.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono dihydrogen phosphate;hydrate?
The InChIKey is VAYWSYJJESFULG-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O7P2.H2O/c1-8(2,3)7-9(4,5)6;/h(H2,1,2,3)(H2,4,5,6);1H2.
What are the key properties of phosphono dihydrogen phosphate;hydrate?
phosphono dihydrogen phosphate;hydrate has a molecular weight of 195.99 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;hydrate is sourced from PubChem (CID 71418121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).